Etisulergine
[CAS# 64795-23-9]

Identification

• Name: Etisulergine
• Molecular Formula: C₁₉H₂₉ClN₄O₂S
• Molecular Weight: 412.98
• CAS Registry Number: 64795-23-9
• SMILES: [C@H]14N(C[C@@H](N[S](=O)(=O)N(CC)CC)CC1C3=C2C(=C[NH]C2=CC=C3)C4)C.[H+].[Cl-]
• InChI: 1S/C19H28N4O2S.ClH/c1-4-23(5-2)26(24,25)21-14-10-16-15-7-6-8-17-19(15)13(11-20-17)9-18(16)22(3)12-14;/h6-8,11,14,16,18,20-21H,4-5,9-10,12H2,1-3H3;1H/t14-,16?,18+;/m0./s1
• InChIKey: CXAMVUWEGXETIO-IVAWQFMLSA-N

Properties

• Boiling point: 561.6°C at 760 mmHg (Cal.)
• Flash point: 293.4°C (Cal.)